UCSF

ZINC67739944

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.81 7.03 -68.77 1 7 0 80 317.393 5
Hi High (pH 8-9.5) 0.81 6.42 -61.85 0 7 -1 79 316.385 5
Lo Low (pH 4.5-6) 0.81 8.81 -73.95 1 7 0 80 317.393 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.